Annotation

Description

Azoreductase (AzoR) is an FMN-dependent NADH-azoreductase isolated from Bacillus authracis str. Sterne as a protein responsible for the degradation of azo compounds.This enzyme catalyzes the reductive cleavage of azo groups by a ping-pong mechanism. The structure suggests that AzoR acts in a homodimeric state. The structure revealed that AzoR has a flavodoxin-like structure, without the explicit overall amino acid sequence homology. In the FMN-binding site the Sulphate ion was identified.  

Functional assignment

FMN-dependent; requires NADH; catalyzes the cleavage of azo bond in aromatic azo compounds  

Structure information

Unit cell parameters

Space Group

C 2 2 21  

Unit Cell

a=70.39Å, b=101.26Å, c=63.13Å
α=90.00, β=90.00, γ=90.00 

Solvent content

48.79  

Matthews coefficient

2.4  

Refinement

Data for the highest resolution shell is in parentheses.

Resolution range

30.00-1.80Å (1.85-1.80Å)  

R_all(%)

19.0 

R_work(%)

18.8 (19.3) 

R_free(%)

23.4 (31.5) 

Num. observed reflections

21124 (1528) 

Num. R_free reflections

1077 (83) 

Completeness(%)

99.1 (99.2) 

Model parameters

Num Atoms

1564  

Num Waters

172  

Num Hetatoms

241  

Model mean isotropic B factor

17.800Ų  

RMSD bond length

0.017Å  

RMSD bond angle

1.556°  

Filename uploaded

rcsb061812.pdb (uploaded on Oct 05, 2010 11:29 AM)  

Inserted

Sep 30, 2010